[gmx-users] matrix overlap

David van der Spoel spoel at xray.bmc.uu.se
Mon Dec 30 16:39:10 CET 2002

On Sun, 29 Dec 2002, Dmitry Kovalsky wrote:

>It is written in the manual that "A good way to check the relevance of the 
>first few principal modes is to calculate the overlap of tha sampling between 
>the first and second half of the simualtion". 
>I'm wondering what is quantitative criterium of good overlap?

check recent artivcles by Berk Hess, you will find refs on the Groningen
MD group pages
>Sincerely yours,
>Ph.D. Student Dmitry Kovalsky
>Institute of Molecular Biology & Genetics
>150 Akad. Zabolotnogo Street,
>Kiev-143, 03143
>E-mail: dikov at imbg.org.ua
>Fax:  +380 (44) 266-0759
>Tel.: +380 (44) 266-5589
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